반응식
[C:3]([CH3:4])([CH3:5])([CH3:6])[n:7]1[n:8][cH:9][cH:10][c:11]1[NH:12][c:13]1[cH:14][cH:15][cH:16][c:17]([CH2:19][C:20]2([c:26]3[n:27][nH:28][c:29](=[O:31])[o:30]3)[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[n:18]1.[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[Cl:32][c:33]1[c:34]([F:42])[c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40][cH:41]1.[ClH:1].[ClH:2].[ClH:43].[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1>>[C:3]([CH3:4])([CH3:5])([CH3:6])[n:7]1[n:8][cH:9][cH:10][c:11]1[NH:12][c:13]1[cH:14][cH:15][cH:16][c:17]([CH2:19][C:20]2([c:26]3[n:27][nH:28][c:29](=[O:31])[o:30]3)[CH2:21][CH2:22][N:23]([C:36]([c:35]3[c:34]([F:42])[c:33]([Cl:32])[cH:41][cH:40][cH:39]3)=[O:37])[CH2:24][CH2:25]2)[n:18]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-a6d797202c7545a59a3880db924dbb0f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…